N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[3-[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl]sulfanylphenyl]butanamide Openeye Name: N-[3-[1-methyl-2-(4-nitroanilino)-2-oxo-ethyl]sulfanylphenyl]butanamide CAS Name: N-[3-[[1-(4-nitroanilino)-1-oxopropan-2-yl]thio]phenyl]butanamide IUPAC Name: N-[3-[1-(4-nitroanilino)-1-oxopropan-2-yl]sulfanylphenyl]butanamide Traditional Name: N-[3-[[2-keto-1-methyl-2-(4-nitroanilino)ethyl]thio]phenyl]butyramide Formula: C19H21N3O4S MolecularWeight: 387.45274

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC(=CC=C1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O4S/c1-3-5-18(23)20-15-6-4-7-17(12-15)27-13(2)19(24)21-14-8-10-16(11-9-14)22(25)26/h4,6-13H,3,5H2,1-2H3,(H,20,23)(H,21,24)